| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:19 UTC |
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| Update Date | 2025-03-25 00:55:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213676 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H23N7O7 |
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| Molecular Mass | 473.1659 |
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| SMILES | CN1c2c(nc(N)[nH]c2=O)NCC1CNc1ccc(C(=O)NC(CC(=O)C(=O)O)C(=O)O)cc1 |
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| InChI Key | GKHUNBVFCXQDRW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | hippuric acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsalpha-hydroxy ketonesalpha-keto acids and derivativesamino acidsazacyclic compoundsbenzoyl derivativescarboxylic acidsdialkylarylaminesdicarboxylic acids and derivativesgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylalkylaminesprimary aminespterins and derivativespyrimidonessecondary alkylarylaminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | lactamcarboxylic acidamino acid or derivativesbenzoylalpha-amino acid or derivativesalpha-hydroxy ketoneketoneorganonitrogen compoundalpha-keto acidalpha-amino acidorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesvinylogous amidepterinazacyclen-acyl-alpha-amino acidheteroaromatic compoundsecondary aliphatic/aromatic aminesecondary carboxylic acid amideketo aciddicarboxylic acid or derivativeshydrocarbon derivativeprimary amineaminecarbonyl groupamino acidpyrimidonecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganopnictogen compounddialkylarylamineimidolactamtertiary aminehippuric acid or derivativessecondary aminecarboxamide groupgamma-keto acidorganic oxygen compoundphenylalkylamineorganic nitrogen compoundorganooxygen compound |
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